1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone

C16H22N2O3S — CID 118738789

IUPAC1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O3S/c1-14(19)17-11-9-16(12-17)8-5-10-18(13-16)22(20,21)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3
InChIKeyWKMOEFHYVPSYTI-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.71
Rot. Bonds2

About 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone

1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 118738789) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID118738789
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O3S/c1-14(19)17-11-9-16(12-17)8-5-10-18(13-16)22(20,21)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3
InChIKeyWKMOEFHYVPSYTI-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone (CID 118738789) is 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CCC2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is WKMOEFHYVPSYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-14(19)17-11-9-16(12-17)8-5-10-18(13-16)22(20,21)15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3.
What are the key properties of 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(benzenesulfonyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 118738789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).